BDBM13936 (2S)-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]-2-[(2S)-2-{[(2S)-2-[(2S,3S)-2-[(2S,3R)-2-acetamido-3-hydroxybutanamido]-3-methylpentanamido]hexyl]amino}hexanamido]pentanediamide::Ac-Thr-Ile-Nle-r-Nle-Gln-Arg-NH2::Ace-T-I-Nle-r-Nle-Q-R::CHEMBL48996::N-1465::Peptide Inhibitor p2/NC

SMILES CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)CC

InChI Key InChIKey=MQPXOVRKKPPKFZ-UHFFFAOYSA-N

Data  6 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13936   

TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Georgia State University

LigandChemical structure of BindingDB Monomer ID 13936BDBM13936(N-1465 | Ace-T-I-Nle-r-Nle-Q-R | Ac-Thr-Ile-Nle-r-...)
Affinity DataKi:  2.17E+3nM ΔG°:  -7.64kcal/molepH: 5.0 T: 2°CAssay Description:The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2007
Entry Details Article
PubMed